N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine

C17H31N — CID 144504826

IUPACN-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H31N/c1-9-11-12-15(18-8)14(3)17(6,7)13-16(4,5)10-2/h9,11-12,14H,8,10,13H2,1-7H3/b11-9-,15-12-
InChIKeyDRECPDHDFCQTGG-PWLMUZNSSA-N
MW249.44 g/mol
LogP5.64
Rot. Bonds7

About N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine

N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine (PubChem CID 144504826) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine
PubChem CID144504826
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H31N/c1-9-11-12-15(18-8)14(3)17(6,7)13-16(4,5)10-2/h9,11-12,14H,8,10,13H2,1-7H3/b11-9-,15-12-
InChIKeyDRECPDHDFCQTGG-PWLMUZNSSA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine with MolForge

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Related Compounds

N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
CID 123335015
N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
CID 123928685
N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
CID 130437085
N-[(4Z)-2,10-dimethylundeca-2,4-dien-5-yl]methanimine
CID 134302704
(Z)-N-(2,4a-dimethyl-5,8,9,9a-tetrahydrobenzo[7]annulen-6-yl)but-2-en-1-imine
CID 142002547
N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine
CID 143872638
ethane;N-[(1Z)-1-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexyl]buta-1,3-dienyl]methanimine
CID 144085379
N-[(2Z,4Z,7R)-7-ethyl-8-methyl-6-methylidenenona-2,4-dien-5-yl]methanimine
CID 144316280
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919
ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine
CID 144504970
N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine
CID 145337848
N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
CID 155070922

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine (CID 144504826) is N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine is C=N/C(=C\C=C/C)C(C)C(C)(C)CC(C)(C)CC.
What is the InChIKey of N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine?
The InChIKey is DRECPDHDFCQTGG-PWLMUZNSSA-N. The full InChI is InChI=1S/C17H31N/c1-9-11-12-15(18-8)14(3)17(6,7)13-16(4,5)10-2/h9,11-12,14H,8,10,13H2,1-7H3/b11-9-,15-12-.
What are the key properties of N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine?
N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine has a molecular weight of 249.44 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine is sourced from PubChem (CID 144504826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).